CID 4368239

4-(anilinosulfonyl)-n-butyl-1-hydroxy-2-naphthamide

Structural Information

Molecular Formula
C21H22N2O4S
SMILES
CCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)NC3=CC=CC=C3)O
InChI
InChI=1S/C21H22N2O4S/c1-2-3-13-22-21(25)18-14-19(16-11-7-8-12-17(16)20(18)24)28(26,27)23-15-9-5-4-6-10-15/h4-12,14,23-24H,2-3,13H2,1H3,(H,22,25)
InChIKey
FWAKIMOWBOTUJM-UHFFFAOYSA-N
Compound name
N-butyl-1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13004 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13732 191.3
[M+Na]+ 421.11926 196.8
[M-H]- 397.12276 196.9
[M+NH4]+ 416.16386 202.1
[M+K]+ 437.09320 191.0
[M+H-H2O]+ 381.12730 182.8
[M+HCOO]- 443.12824 207.0
[M+CH3COO]- 457.14389 222.4
[M+Na-2H]- 419.10471 195.7
[M]+ 398.12949 194.0
[M]- 398.13059 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe